SH3 Domain-Peptide Binding Energy Calculations Based on Structural Ensemble and Multiple Peptide Templates

Open Access

Peer-reviewed

Research Article

About the Authors

Seungpyo Hong

Contributed equally to this work with: Seungpyo Hong, Taesu Chung

Affiliation Department of Bio and Brain Engineering, KAIST, Daejeon, South Korea

Taesu Chung

Contributed equally to this work with: Seungpyo Hong, Taesu Chung

Affiliation Department of Bio and Brain Engineering, KAIST, Daejeon, South Korea

Dongsup Kim

* E-mail: kds@kaist.ac.kr

Affiliation Department of Bio and Brain Engineering, KAIST, Daejeon, South Korea

The authors have declared that no competing interests exist.

Conceived and designed the experiments: SH TC DK. Performed the experiments: SH TC. Analyzed the data: SH TC. Wrote the paper: SH TC DK.

Sequence motif analysis
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Molecular dynamics
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Crystal structure
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Peptide mapping
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Protein sequencing
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Built structures
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Sequence alignment
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Drug interactions
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